4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde

C12H22N2O2Si — CID 175822423

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde
SMILESCn1cc(CO[Si](C)(C)C(C)(C)C)c(C=O)n1
InChIInChI=1S/C12H22N2O2Si/c1-12(2,3)17(5,6)16-9-10-7-14(4)13-11(10)8-15/h7-8H,9H2,1-6H3
InChIKeyYUYGEDSTLRRXCU-UHFFFAOYSA-N
MW254.41 g/mol
LogP2.75
Rot. Bonds4

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde (PubChem CID 175822423) has the molecular formula C12H22N2O2Si and a molecular weight of 254.41 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde
PubChem CID175822423
Molecular FormulaC12H22N2O2Si
Molecular Weight254.41 g/mol
Exact Mass254.15
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde
SMILESCn1cc(CO[Si](C)(C)C(C)(C)C)c(C=O)n1
InChIInChI=1S/C12H22N2O2Si/c1-12(2,3)17(5,6)16-9-10-7-14(4)13-11(10)8-15/h7-8H,9H2,1-6H3
InChIKeyYUYGEDSTLRRXCU-UHFFFAOYSA-N
XLogP2.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-propylpyrazole-3-carbaldehyde
CID 105422580
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-chlorothiophene-2-carbaldehyde
CID 131745495
2-[2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethynyl]benzaldehyde
CID 11100219
tert-butyl-[(2,5-dimethylthiophen-3-yl)methoxy]-dimethylsilane
CID 175923025
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxy-2-(methoxymethoxy)benzaldehyde
CID 46211282
4-iodo-1-methylpyrazole-3-carbaldehyde
CID 53302348
3-formyl-1-methylpyrazole-4-carboxylic acid
CID 57445628
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylpyridine-2-carbaldehyde
CID 158302503
5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-2-carbaldehyde
CID 6425101
tert-butyl-[(1-ethyl-1,2,4-triazol-3-yl)methoxy]-dimethylsilane
CID 69188963
2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid
CID 174156217
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-3-yl]methoxy]-dimethylsilane
CID 10690703

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde (CID 175822423) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde is Cn1cc(CO[Si](C)(C)C(C)(C)C)c(C=O)n1.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde?
The InChIKey is YUYGEDSTLRRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2Si/c1-12(2,3)17(5,6)16-9-10-7-14(4)13-11(10)8-15/h7-8H,9H2,1-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde has a molecular weight of 254.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazole-3-carbaldehyde is sourced from PubChem (CID 175822423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).